# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.92454764
_cell_length_b   8.81194281
_cell_length_c   47.74702122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.49111208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm90 Al30'
_cell_volume   7458.98059896
_cell_formula_units_Z   30
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sm  Sm1  1  0.381341  0.232583  0.279712  1
  Sm  Sm2  1  0.773191  0.986259  0.343463  1
  Sm  Sm3  1  0.995332  0.501934  0.254903  1
  Sm  Sm4  1  0.198465  0.461749  0.276715  1
  Sm  Sm5  1  0.524083  0.061294  0.319016  1
  Sm  Sm6  1  0.756733  0.476865  0.255685  1
  Sm  Sm7  1  0.159069  0.037046  0.352467  1
  Sm  Sm8  1  0.558567  0.470067  0.304343  1
  Sm  Sm9  1  0.857427  0.213996  0.289549  1
  Sm  Sm10  1  0.300538  0.845956  0.288229  1
  Sm  Sm11  1  0.576932  0.173356  0.246513  1
  Sm  Sm12  1  0.884937  0.803680  0.281639  1
  Sm  Sm13  1  0.448263  0.759286  0.354847  1
  Sm  Sm14  1  0.692513  0.880808  0.272923  1
  Sm  Sm15  1  0.081522  0.770555  0.309109  1
  Sm  Sm16  1  0.481754  0.767932  0.269826  1
  Sm  Sm17  1  0.751917  0.577314  0.330758  1
  Sm  Sm18  1  0.046511  0.106679  0.267750  1
  Sm  Sm19  1  0.376430  0.623997  0.422255  1
  Sm  Sm20  1  0.704744  0.199070  0.425352  1
  Sm  Sm21  1  0.089818  0.686501  0.397846  1
  Sm  Sm22  1  0.245586  0.646858  0.349669  1
  Sm  Sm23  1  0.515654  0.349022  0.445758  1
  Sm  Sm24  1  0.924145  0.716059  0.365229  1
  Sm  Sm25  1  0.204898  0.368229  0.398890  1
  Sm  Sm26  1  0.590345  0.579704  0.388030  1
  Sm  Sm27  1  0.887796  0.495970  0.440665  1
  Sm  Sm28  1  0.284872  0.936367  0.399669  1
  Sm  Sm29  1  0.642709  0.265618  0.363753  1
  Sm  Sm30  1  0.998596  0.067471  0.387977  1
  Sm  Sm31  1  0.486568  0.058229  0.400964  1
  Sm  Sm32  1  0.872962  0.307862  0.372105  1
  Sm  Sm33  1  0.140846  0.043952  0.440191  1
  Sm  Sm34  1  0.414877  0.345371  0.361559  1
  Sm  Sm35  1  0.786250  0.861910  0.410341  1
  Sm  Sm36  1  0.064975  0.370497  0.335180  1
  Sm  Sm37  1  0.374302  0.966670  0.466965  1
  Sm  Sm38  1  0.757377  0.555350  0.544702  1
  Sm  Sm39  1  0.043595  0.062237  0.512999  1
  Sm  Sm40  1  0.225253  0.991627  0.516477  1
  Sm  Sm41  1  0.643713  0.814134  0.524458  1
  Sm  Sm42  1  0.914819  0.126570  0.457538  1
  Sm  Sm43  1  0.276094  0.645634  0.506794  1
  Sm  Sm44  1  0.573624  0.099278  0.488873  1
  Sm  Sm45  1  0.857835  0.762137  0.492219  1
  Sm  Sm46  1  0.288148  0.320551  0.472255  1
  Sm  Sm47  1  0.574366  0.827437  0.440552  1
  Sm  Sm48  1  0.957441  0.416117  0.518290  1
  Sm  Sm49  1  0.416924  0.256217  0.527717  1
  Sm  Sm50  1  0.688030  0.568653  0.460797  1
  Sm  Sm51  1  0.106491  0.391161  0.468777  1
  Sm  Sm52  1  0.473909  0.620651  0.493036  1
  Sm  Sm53  1  0.758119  0.283510  0.496382  1
  Sm  Sm54  1  0.055649  0.737154  0.478461  1
  Sm  Sm55  1  0.333148  0.315317  0.597278  1
  Sm  Sm56  1  0.689034  0.117170  0.621501  1
  Sm  Sm57  1  0.046872  0.446420  0.585585  1
  Sm  Sm58  1  0.190898  0.338836  0.545063  1
  Sm  Sm59  1  0.458781  0.074926  0.613149  1
  Sm  Sm60  1  0.845175  0.324559  0.584291  1
  Sm  Sm61  1  0.266768  0.012290  0.650075  1
  Sm  Sm62  1  0.545493  0.520878  0.574914  1
  Sm  Sm63  1  0.916867  0.037416  0.623696  1
  Sm  Sm64  1  0.241925  0.696286  0.587409  1
  Sm  Sm65  1  0.626999  0.183718  0.559903  1
  Sm  Sm66  1  0.955313  0.758790  0.563000  1
  Sm  Sm67  1  0.407598  0.666728  0.620026  1
  Sm  Sm68  1  0.816090  0.033766  0.539497  1
  Sm  Sm69  1  0.086157  0.735930  0.635585  1
  Sm  Sm70  1  0.443947  0.886818  0.544590  1
  Sm  Sm71  1  0.741399  0.803083  0.597224  1
  Sm  Sm72  1  0.126845  0.014559  0.586365  1
  Sm  Sm73  1  0.446806  0.579108  0.703616  1
  Sm  Sm74  1  0.754811  0.209431  0.738742  1
  Sm  Sm75  1  0.031205  0.536832  0.697026  1
  Sm  Sm76  1  0.250221  0.612233  0.676145  1
  Sm  Sm77  1  0.639230  0.501979  0.712332  1
  Sm  Sm78  1  0.883480  0.623502  0.630408  1
  Sm  Sm79  1  0.285232  0.276109  0.717504  1
  Sm  Sm80  1  0.579826  0.805474  0.654497  1
  Sm  Sm81  1  0.849989  0.614856  0.715429  1
  Sm  Sm82  1  0.336411  0.880854  0.730352  1
  Sm  Sm83  1  0.558553  0.396528  0.641792  1
  Sm  Sm84  1  0.950402  0.150205  0.705542  1
  Sm  Sm85  1  0.575010  0.905922  0.729569  1
  Sm  Sm86  1  0.807661  0.321493  0.666239  1
  Sm  Sm87  1  0.133278  0.921039  0.708540  1
  Sm  Sm88  1  0.474317  0.168792  0.695705  1
  Sm  Sm89  1  0.773177  0.912721  0.680911  1
  Sm  Sm90  1  0.172674  0.345741  0.632788  1
  Al  Al91  1  0.203552  0.109861  0.292262  1
  Al  Al92  1  0.614662  0.785275  0.328724  1
  Al  Al93  1  0.922173  0.519281  0.314428  1
  Al  Al94  1  0.369592  0.542177  0.308382  1
  Al  Al95  1  0.686087  0.229210  0.301474  1
  Al  Al96  1  0.967107  0.032326  0.326351  1
  Al  Al97  1  0.260511  0.316740  0.331878  1
  Al  Al98  1  0.624884  0.926616  0.379138  1
  Al  Al99  1  0.956806  0.828848  0.431438  1
  Al  Al100  1  0.343418  0.031609  0.340548  1
  Al  Al101  1  0.762078  0.518659  0.395813  1
  Al  Al102  1  0.021439  0.368461  0.413286  1
  Al  Al103  1  0.215172  0.703394  0.447200  1
  Al  Al104  1  0.597340  0.430455  0.514262  1
  Al  Al105  1  0.973965  0.135961  0.565824  1
  Al  Al106  1  0.357778  0.246827  0.419430  1
  Al  Al107  1  0.734403  0.952333  0.470993  1
  Al  Al108  1  0.116571  0.679394  0.538055  1
  Al  Al109  1  0.310304  0.014327  0.571968  1
  Al  Al110  1  0.569665  0.864129  0.589442  1
  Al  Al111  1  0.988325  0.351179  0.644706  1
  Al  Al112  1  0.374937  0.553940  0.553817  1
  Al  Al113  1  0.706859  0.456172  0.606116  1
  Al  Al114  1  0.071232  0.066048  0.653376  1
  Al  Al115  1  0.364636  0.350461  0.658903  1
  Al  Al116  1  0.645656  0.153578  0.683780  1
  Al  Al117  1  0.962151  0.840610  0.676873  1
  Al  Al118  1  0.409571  0.863506  0.670826  1
  Al  Al119  1  0.717081  0.597513  0.656530  1
  Al  Al120  1  0.128192  0.272927  0.692992  1
